methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate

C18H17FN2O4 — CID 66882690

IUPACmethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C18H17FN2O4/c1-18(17(24)25-2)10-12(18)16(23)20-14-7-6-11(9-13(14)19)21-8-4-3-5-15(21)22/h3-9,12H,10H2,1-2H3,(H,20,23)
InChIKeyBTDSTRROLYHFBJ-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.11
Rot. Bonds4

About methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate

methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate (PubChem CID 66882690) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate
PubChem CID66882690
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Namemethyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C18H17FN2O4/c1-18(17(24)25-2)10-12(18)16(23)20-14-7-6-11(9-13(14)19)21-8-4-3-5-15(21)22/h3-9,12H,10H2,1-2H3,(H,20,23)
InChIKeyBTDSTRROLYHFBJ-UHFFFAOYSA-N
XLogP2.11
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate (CID 66882690) is methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate is COC(=O)C1(C)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate?
The InChIKey is BTDSTRROLYHFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-18(17(24)25-2)10-12(18)16(23)20-14-7-6-11(9-13(14)19)21-8-4-3-5-15(21)22/h3-9,12H,10H2,1-2H3,(H,20,23).
What are the key properties of methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate?
methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate has a molecular weight of 344.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 66882690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).